Information card for entry 7121380

Structure parameters

• Common name: 10Cl
• Formula: C22 H23 B Cl N
• Calculated formula: C22 H23 B Cl N
• Title of publication: Intermolecular Insertion Reactions of Azides Into 9-Borafluorenes to Generate 9,10-B,N-Phenanthrenes
• Authors of publication: Yruegas, Sam; Martinez, Jesse J.; Martin, Caleb Daniel
• Journal of publication: Chemical Communications
• Year of publication: 2018
• a: 13.679 ± 0.0015 Å
• b: 12.5898 ± 0.0013 Å
• c: 10.2613 ± 0.001 Å
• α: 90°
• β: 97.732 ± 0.003°
• γ: 90°
• Cell volume: 1751.1 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0729
• Residual factor for significantly intense reflections: 0.0433
• Weighted residual factors for significantly intense reflections: 0.1025
• Weighted residual factors for all reflections included in the refinement: 0.1221
• Goodness-of-fit parameter for all reflections included in the refinement: 1.147
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No